5-[bis(azanyl)methylideneamino]-2-[(1S)-1-chloranyl-2-ethoxy-2-oxidanylidene-ethyl]benzoate

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(1S)-1-chloranyl-2-ethoxy-2-oxidanylidene-ethyl]benzoate Openeye Name: 2-[(1S)-1-chloro-2-ethoxy-2-oxo-ethyl]-5-guanidino-benzoate CAS Name: 2-[(1S)-1-chloro-2-ethoxy-2-oxoethyl]-5-(diaminomethylideneamino)benzoate IUPAC Name: 2-[(1S)-1-chloro-2-ethoxy-2-oxoethyl]-5-(diaminomethylideneamino)benzoate Traditional Name: 2-[(1S)-1-chloro-2-ethoxy-2-keto-ethyl]-5-guanidino-benzoate Formula: C12H13ClN3O4- MolecularWeight: 298.70232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=C(C=C1)N=C(N)N)C(=O)[O-])Cl

Isomeric SMILES

CCOC(=O)[C@H](C1=C(C=C(C=C1)N=C(N)N)C(=O)[O-])Cl

InChI

InChI=1S/C12H14ClN3O4/c1-2-20-11(19)9(13)7-4-3-6(16-12(14)15)5-8(7)10(17)18/h3-5,9H,2H2,1H3,(H,17,18)(H4,14,15,16)/p-1/t9-/m0/s1